Basic information
- CAS
30863-52-6- Standard SMILES
CCOc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1- InChIKey
KSFZYLAQETXPIR-UHFFFAOYSA-N- Molecular formula
- C7H5Cl6N3O
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 356.856378
Names & identifiers
- Preferred name
- 2-Ethoxy-4,6-bis(trichloromethyl)-1,3,5-triazine
- IUPAC
- 2-ethoxy-4,6-bis(trichloromethyl)-1,3,5-triazine
Names & synonyms
2-ethoxy-4,6-bis(trichloromethyl)-1,3,5-triazine30863-52-6CHEMBL2286878DTXSID60275333
Database identifiers
- CAS
30863-52-6- PubChem CID
- 35579
- DTXSID
DTXSID60275333- ChEMBL
CHEMBL2286878- Nikkaji
- J807.588C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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